ethyl 4-(4-methylphenyl)-5-[4-(4-methylphenyl)phenyl]carbonylimino-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-5-[4-(4-methylphenyl)phenyl]carbonylimino-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 4-(p-tolyl)-5-[4-(p-tolyl)benzoyl]imino-1,3,4-thiadiazole-2-carboxylate CAS Name: 4-(4-methylphenyl)-5-[[4-(4-methylphenyl)phenyl]-oxomethyl]imino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-5-[4-(4-methylphenyl)benzoyl]imino-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-(p-tolyl)-5-[4-(p-tolyl)benzoyl]imino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C)S1)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C)S1)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H23N3O3S/c1-4-32-25(31)24-28-29(22-15-7-18(3)8-16-22)26(33-24)27-23(30)21-13-11-20(12-14-21)19-9-5-17(2)6-10-19/h5-16H,4H2,1-3H3